(3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol

C12H17NO — CID 126490034

IUPAC(3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol
SMILESC=C/C=C\C=C(CC)\C(O)=C(\N)C=C
InChIInChI=1S/C12H17NO/c1-4-7-8-9-10(5-2)12(14)11(13)6-3/h4,6-9,14H,1,3,5,13H2,2H3/b8-7-,10-9+,12-11-
InChIKeyCAJBNYDYDNMLQE-WTQDWYTRSA-N
MW191.27 g/mol
LogP2.98
Rot. Bonds5

About (3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol

(3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol (PubChem CID 126490034) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol.

Molecular Properties

Compound Name(3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol
PubChem CID126490034
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol
SMILESC=C/C=C\C=C(CC)\C(O)=C(\N)C=C
InChIInChI=1S/C12H17NO/c1-4-7-8-9-10(5-2)12(14)11(13)6-3/h4,6-9,14H,1,3,5,13H2,2H3/b8-7-,10-9+,12-11-
InChIKeyCAJBNYDYDNMLQE-WTQDWYTRSA-N
XLogP2.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol with MolForge

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Related Compounds

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CID 137319
2-Aminobiphenylen-1-ol
CID 53916798
4-Amino-2,6-dimethylbenzene-5-id-1-ol;yttrium
CID 59839387
2-Amino-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol
CID 68144324
3-Amino-6-methylidenecyclohexa-1,3-dien-1-ol
CID 70526466
(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol
CID 88566743
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(2E,4E)-4-amino-7-methylocta-2,4,7-trien-3-ol
CID 89010550
(3E,4Z)-2-amino-3-(1-aminobutylidene)-5-methylhepta-4,6-dien-2-ol
CID 89017359
(5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol
CID 89047516
(4Z,6Z)-4-amino-6-tert-butyl-8,9,9-trimethyldeca-1,4,6-trien-5-ol
CID 126518656

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol?
The IUPAC name of (3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol (CID 126490034) is (3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol.
What is the SMILES notation for (3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol?
The canonical SMILES for (3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol is C=C/C=C\C=C(CC)\C(O)=C(\N)C=C.
What is the InChIKey of (3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol?
The InChIKey is CAJBNYDYDNMLQE-WTQDWYTRSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-7-8-9-10(5-2)12(14)11(13)6-3/h4,6-9,14H,1,3,5,13H2,2H3/b8-7-,10-9+,12-11-.
What are the key properties of (3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol?
(3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol has a molecular weight of 191.27 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol is sourced from PubChem (CID 126490034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).